[2-fluoranyl-4-(4-undecan-5-ylpyrimidin-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [2-fluoranyl-4-(4-undecan-5-ylpyrimidin-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[4-(1-butylheptyl)pyrimidin-2-yl]-2-fluoro-phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [2-fluoro-4-(4-undecan-5-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(4-undecan-5-ylpyrimidin-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[4-(1-butylheptyl)pyrimidin-2-yl]-2-fluoro-phenyl] ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C1=NC(=NC=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

Isomeric SMILES

CCCCCCC(CCCC)C1=NC(=NC=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

InChI

InChI=1S/C31H45FN2O2/c1-4-7-9-10-13-24(12-8-5-2)28-20-21-33-30(34-28)26-18-19-29(27(32)22-26)36-31(35)25-16-14-23(11-6-3)15-17-25/h18-25H,4-17H2,1-3H3